Basic information
- Standard SMILES
O=c1cc(-c2cccnc2)c2ccc(Sc3ncc(C(O)(C4CC4)C(F)(F)F)s3)cc2o1- InChIKey
JWLWNXWQSWXEIJ-UHFFFAOYSA-N- Molecular formula
- C22H15F3N2O3S2
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.04761918
Names & identifiers
- Preferred name
- (-)-7-{[5-(1-Cyclopropyl-2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]thio}-4-pyridin-3-yl-2H-chromen-2-one
- IUPAC
- 7-[[5-(1-cyclopropyl-2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]sulfanyl]-4-pyridin-3-ylchromen-2-one
Names & synonyms
(-)-7-{[5-(1-Cyclopropyl-2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]thio}-4-pyridin-3-yl-2H-chromen-2-oneSCHEMBL2982099
Database identifiers
- PubChem CID
- 11352007
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 763
Related reactions
2 records
Compound notes
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